2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine

C12H25NO2S — CID 83147780

IUPAC2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(C)(CNC)C1CC1
InChIInChI=1S/C12H25NO2S/c1-4-16(14,15)9-5-8-12(2,10-13-3)11-6-7-11/h11,13H,4-10H2,1-3H3
InChIKeyLIUXDIJNVFCWBG-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.84
Rot. Bonds8

About 2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine

2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine (PubChem CID 83147780) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine
PubChem CID83147780
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(C)(CNC)C1CC1
InChIInChI=1S/C12H25NO2S/c1-4-16(14,15)9-5-8-12(2,10-13-3)11-6-7-11/h11,13H,4-10H2,1-3H3
InChIKeyLIUXDIJNVFCWBG-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine?
The IUPAC name of 2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine (CID 83147780) is 2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine?
The canonical SMILES for 2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine is CCS(=O)(=O)CCCC(C)(CNC)C1CC1.
What is the InChIKey of 2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine?
The InChIKey is LIUXDIJNVFCWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-16(14,15)9-5-8-12(2,10-13-3)11-6-7-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine?
2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 83147780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).